5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine
TL;DR: 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine (CAS 103064-24-0) is a chemical compound with molecular formula C14H17N and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S,13S)-N-methyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine
Also Known As: Org 6363, 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine, N-Methyl-5,6,9,10-tetrahydro-5,9-methanobenzo[8]annulen-11-amine, (1R,9S,13S)-N-methyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine, (5R,9S,11S)-N-Methyl-5,6,9,10-tetrahydro-5,9-methanobenzo[8]annulen-11-amine
| Molecular Formula | C14H17N |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.1361 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 103064-24-0 |
|---|---|
| SMILES | CN[C@@H]1[C@@H]2CC=C[C@@H]1CC3=CC=CC=C23 |
| InChIKey | ZQQHBIZNKVQDBS-BNOWGMLFSA-N |
Product Overview
5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine (CAS 103064-24-0), with molecular formula C14H17N and molecular weight 199.14 g/mol. IUPAC: (1R,9S,13S)-N-methyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine.
Chemical Property Profile of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine
Property Insights of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine. With a topological polar surface area (TPSA) of 12.0 Ų, 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine?
The CAS number of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine is 103064-24-0.
What is the molecular formula of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine?
The molecular formula of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine is C14H17N.
What is the molecular weight of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine?
The molecular weight of 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine is 199.14 g/mol.
Where can I buy 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine?
You can request a quote for 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine?
Yes, KEHONG BIO provides custom synthesis services for 5,6,9,10-Tetrahydro-N-methyl-5,9-methanobenzocycloocten-11-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.